Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'gutierrez' and Initial = 'if'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200622 (CHEMBL3917975) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303779 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCC5(COC5)C4)cc3)s2)cc1 |r| Show InChI InChI=1S/C28H30ClN5O3S.H2S/c29-22-6-1-19(2-7-22)5-10-24-31-32-27(38-24)30-26(36)21-13-25(35)34(15-21)23-8-3-20(4-9-23)14-33-12-11-28(16-33)17-37-18-28;/h1-4,6-9,21H,5,10-18H2,(H,30,32,36);1H2/t21-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303780 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CC5(COC5)C4)cc3)s2)cc1 |r,$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H28ClN5O3S.H2S/c28-21-6-1-18(2-7-21)5-10-23-30-31-26(37-23)29-25(35)20-11-24(34)33(13-20)22-8-3-19(4-9-22)12-32-14-27(15-32)16-36-17-27;/h1-4,6-9,20H,5,10-17H2,(H,29,31,35);1H2/t20-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303657 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O3S/c1-32(23-12-13-36-17-23)15-19-4-9-22(10-5-19)33-16-20(14-25(33)34)26(35)29-27-31-30-24(37-27)11-6-18-2-7-21(28)8-3-18/h2-5,7-10,20,23H,6,11-17H2,1H3,(H,29,31,35)/t20-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303658 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2COC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H28ClN5O3S/c1-31(22-15-35-16-22)13-18-4-9-21(10-5-18)32-14-19(12-24(32)33)25(34)28-26-30-29-23(36-26)11-6-17-2-7-20(27)8-3-17/h2-5,7-10,19,22H,6,11-16H2,1H3,(H,28,30,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303659 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H28ClN5O3S/c27-21-6-1-18(2-7-21)5-10-23-29-30-26(36-23)28-25(34)20-15-24(33)32(17-20)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,20H,5,10-17H2,(H,28,30,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303660 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O3S/c1-33(23-12-14-37-15-13-23)17-20-4-9-24(10-5-20)34-18-21(16-26(34)35)27(36)30-28-32-31-25(38-28)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,21,23H,6,11-18H2,1H3,(H,30,32,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303661 ((3S)-1-[4-(azepan-1- ylmethyl)phenyl]- N-[5-[2- (4...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O2S/c29-23-10-5-20(6-11-23)9-14-25-31-32-28(37-25)30-27(36)22-17-26(35)34(19-22)24-12-7-21(8-13-24)18-33-15-3-1-2-4-16-33/h5-8,10-13,22H,1-4,9,14-19H2,(H,30,32,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303663 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303664 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)CCOC)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303698 (5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(morpholino-...) Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1 |$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303716 ((3S)-N-[5-[2-(4- chlorophenyyl) ethyl]isoxazol- 3-...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1cc(CCc2ccc(Cl)cc2)on1 |r| Show InChI InChI=1S/C28H31ClN4O3/c29-23-9-4-20(5-10-23)8-13-25-17-26(31-36-25)30-28(35)22-16-27(34)33(19-22)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,22H,1-3,8,13-16,18-19H2,(H,30,31,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303662 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCC(C)CC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200579 (CHEMBL3917466) Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200569 (CHEMBL3946146) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23ClF2N4O2/c1-16(18-6-8-19(26)9-7-18)30-23(33)13-12-22-31-21-3-2-14-29-24(21)32(22)15-17-4-10-20(11-5-17)34-25(27)28/h2-11,14,16,25H,12-13,15H2,1H3,(H,30,33)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200572 (CHEMBL3889955) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303722 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl] isoxazol-3-yl...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOC2)cc1)C(=O)Nc1cc(CCc2ccc(Cl)cc2)on1 |r| Show InChI InChI=1S/C28H31ClN4O4/c1-32(24-12-13-36-18-24)16-20-4-9-23(10-5-20)33-17-21(14-27(33)34)28(35)30-26-15-25(37-31-26)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,15,21,24H,6,11-14,16-18H2,1H3,(H,30,31,35)/t21-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303723 (4-[[[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazo...) Show SMILES Clc1ccc(CCc2nnc(NCC3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c27-22-6-1-19(2-7-22)5-10-24-29-30-26(35-24)28-16-21-15-25(33)32(18-21)23-8-3-20(4-9-23)17-31-11-13-34-14-12-31/h1-4,6-9,21H,5,10-18H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303665 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1 |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303666 (N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-1...) Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCOCC2)cc1 Show InChI InChI=1S/C27H37N5O3S/c33-25-17-22(26(34)28-27-30-29-24(36-27)12-9-20-5-2-1-3-6-20)19-32(25)23-10-7-21(8-11-23)18-31-13-4-15-35-16-14-31/h7-8,10-11,20,22H,1-6,9,12-19H2,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303667 ((3S)-1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[5-[...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(cc2)C(F)(F)F)s1 |r| Show InChI InChI=1S/C27H28F3N5O3S/c28-27(29,30)21-6-1-18(2-7-21)5-10-23-32-33-26(39-23)31-25(37)20-15-24(36)35(17-20)22-8-3-19(4-9-22)16-34-11-13-38-14-12-34/h1-4,6-9,20H,5,10-17H2,(H,31,33,37)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303668 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CCN(CC)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H30ClN5O2S/c1-3-31(4-2)16-19-7-12-22(13-8-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)14-9-18-5-10-21(27)11-6-18/h5-8,10-13,20H,3-4,9,14-17H2,1-2H3,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303669 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)s2)cc1 Show InChI InChI=1S/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303670 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES COCCN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303699 (5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(1,4-oxazepa...) Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCOCC3)cc2)cc1 |$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H30ClN5O3S/c28-21-7-2-19(3-8-21)6-11-24-30-31-27(37-24)26(35)29-22-16-25(34)33(18-22)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,22H,1,6,11-18H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303700 (5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4- (morph...) Show SMILES [H][C@@]1(CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303701 (5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4- (morph...) Show SMILES [H][C@]1(CCN(C1)c1ccc(CN2CCOCC2)cc1)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H30ClN5O2S/c27-21-6-1-19(2-7-21)5-10-24-29-30-26(35-24)25(33)28-22-11-12-32(18-22)23-8-3-20(4-9-23)17-31-13-15-34-16-14-31/h1-4,6-9,22H,5,10-18H2,(H,28,33)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303713 (5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-(...) Show SMILES [H][C@@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)NC(=O)c1cc(CCc2ccc(Cl)cc2)on1 |r| Show InChI InChI=1S/C28H31ClN4O3/c29-22-9-4-20(5-10-22)8-13-25-17-26(31-36-25)28(35)30-23-16-27(34)33(19-23)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,23H,1-3,8,13-16,18-19H2,(H,30,35)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303714 (5-[2-(4- chlorophenyl)ethyl]-N-[5- oxo-1-[4-(1- pi...) Show SMILES Clc1ccc(CCc2cc(no2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1 Show InChI InChI=1S/C28H31ClN4O3/c29-22-9-4-20(5-10-22)8-13-25-17-26(31-36-25)28(35)30-23-16-27(34)33(19-23)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,23H,1-3,8,13-16,18-19H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303717 (N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-1...) Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H35N5O3S/c32-24-16-21(18-31(24)22-9-6-20(7-10-22)17-30-12-14-34-15-13-30)25(33)27-26-29-28-23(35-26)11-8-19-4-2-1-3-5-19/h6-7,9-10,19,21H,1-5,8,11-18H2,(H,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200582 (CHEMBL3944813) Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H25ClN4O2/c1-17(19-7-9-20(26)10-8-19)28-24(31)14-13-23-29-22-4-3-15-27-25(22)30(23)16-18-5-11-21(32-2)12-6-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,31)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200624 (CHEMBL3912114) Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187693 (CHEMBL3186509) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303724 (N-[5-[(4- fluorophenyl)methyl- sulfanyl]-1,3,4- th...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1 Show InChI InChI=1S/C25H26FN5O3S2/c26-20-5-1-18(2-6-20)16-35-25-29-28-24(36-25)27-23(33)19-13-22(32)31(15-19)21-7-3-17(4-8-21)14-30-9-11-34-12-10-30/h1-8,19H,9-16H2,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303782 (1-(4-Morpholin-4- ylmethyl-phenyl)-5-oxo- pyrrolid...) Show SMILES Fc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303671 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCOCC4)cc3)s2)cc1 Show InChI InChI=1S/C27H30ClN5O3S/c28-22-7-2-19(3-8-22)6-11-24-30-31-27(37-24)29-26(35)21-16-25(34)33(18-21)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,21H,1,6,11-18H2,(H,29,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303672 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES OC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1 |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H30ClN5O3S/c28-21-6-1-18(2-7-21)5-10-24-30-31-27(37-24)29-26(36)20-15-25(35)33(17-20)22-8-3-19(4-9-22)16-32-13-11-23(34)12-14-32/h1-4,6-9,20,23,34H,5,10-17H2,(H,29,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303674 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O3S/c28-22-7-2-19(3-8-22)6-11-24-30-31-27(37-24)29-26(35)21-16-25(34)33(18-21)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,21H,1,6,11-18H2,(H,29,31,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303675 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CNC4CCOCC4)cc3)s2)cc1 Show InChI InChI=1S/C27H30ClN5O3S/c28-21-6-1-18(2-7-21)5-10-24-31-32-27(37-24)30-26(35)20-15-25(34)33(17-20)23-8-3-19(4-9-23)16-29-22-11-13-36-14-12-22/h1-4,6-9,20,22,29H,5,10-17H2,(H,30,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303676 (N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-5...) Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C27H37N5O2S/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)26(34)28-27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h9-10,12-13,20,22H,1-8,11,14-19H2,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303677 (N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...) Show SMILES O=C(Nc1nnc(CCC2CCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H33N5O3S/c31-23-15-20(24(32)26-25-28-27-22(34-25)10-7-18-3-1-2-4-18)17-30(23)21-8-5-19(6-9-21)16-29-11-13-33-14-12-29/h5-6,8-9,18,20H,1-4,7,10-17H2,(H,26,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303678 ((3S)-N-[5-[2-(4- fluorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(F)cc2)s1 |r| Show InChI InChI=1S/C26H28FN5O3S/c27-21-6-1-18(2-7-21)5-10-23-29-30-26(36-23)28-25(34)20-15-24(33)32(17-20)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,20H,5,10-17H2,(H,28,30,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303679 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CCCN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C26H30ClN5O2S/c1-3-14-31(2)16-19-6-11-22(12-7-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)13-8-18-4-9-21(27)10-5-18/h4-7,9-12,20H,3,8,13-17H2,1-2H3,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303680 (1-[4-(3- azabicyclo[3.1.0]hexan- 3-ylmethyl)phenyl...) Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CC5CC5C4)cc3)s2)cc1 Show InChI InChI=1S/C27H28ClN5O2S/c28-22-6-1-17(2-7-22)5-10-24-30-31-27(36-24)29-26(35)21-12-25(34)33(16-21)23-8-3-18(4-9-23)13-32-14-19-11-20(19)15-32/h1-4,6-9,19-21H,5,10-16H2,(H,29,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303681 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CN(Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1CCOCC1 Show InChI InChI=1S/C28H32ClN5O3S/c1-33(23-12-14-37-15-13-23)17-20-4-9-24(10-5-20)34-18-21(16-26(34)35)27(36)30-28-32-31-25(38-28)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,21,23H,6,11-18H2,1H3,(H,30,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303682 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CCN(CC(C)C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C28H34ClN5O2S/c1-4-33(16-19(2)3)17-21-7-12-24(13-8-21)34-18-22(15-26(34)35)27(36)30-28-32-31-25(37-28)14-9-20-5-10-23(29)11-6-20/h5-8,10-13,19,22H,4,9,14-18H2,1-3H3,(H,30,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303683 (N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...) Show SMILES FC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCC3CCCC3)s2)CC1 |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H34FN5O2S/c27-21-11-13-31(14-12-21)16-19-5-8-22(9-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)10-7-18-3-1-2-4-18/h5-6,8-9,18,20-21H,1-4,7,10-17H2,(H,28,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303685 (N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...) Show SMILES FC1(F)CCCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCC3CCCC3)s2)C1 Show InChI InChI=1S/C26H33F2N5O2S/c27-26(28)12-3-13-32(17-26)15-19-6-9-21(10-7-19)33-16-20(14-23(33)34)24(35)29-25-31-30-22(36-25)11-8-18-4-1-2-5-18/h6-7,9-10,18,20H,1-5,8,11-17H2,(H,29,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303686 (N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...) Show SMILES CCCN(CCC)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C28H34ClN5O2S/c1-3-15-33(16-4-2)18-21-7-12-24(13-8-21)34-19-22(17-26(34)35)27(36)30-28-32-31-25(37-28)14-9-20-5-10-23(29)11-6-20/h5-8,10-13,22H,3-4,9,14-19H2,1-2H3,(H,30,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303702 (5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-(...) Show SMILES [H][C@@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O2S/c28-21-9-4-19(5-10-21)8-13-24-30-31-27(36-24)26(35)29-22-16-25(34)33(18-22)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,22H,1-3,8,13-18H2,(H,29,35)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair

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